奥昔拉定
TL;DR: 奥昔拉定 (CAS 468-61-1) is a chemical compound with molecular formula C20H33NO3 and molecular weight 335.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥昔拉定
2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
Also Known As: Oxeladin, Oxeladina, Oxeladine, Oxeladinum, oxeladin citrate
| Molecular Formula | C20H33NO3 |
|---|---|
| Molecular Weight | 335.25 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 335.24603 |
| Heavy Atoms | 24 |
| Complexity | 332.0 |
| Melting Point | < 25 °C |
| Boiling Point | 150 |
| Solubility | 47.7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 468-61-1 |
|---|---|
| SMILES | CCC(CC)(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC |
| InChIKey | IQADUMSPOQKAAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奥昔拉定 (CAS 468-61-1), with molecular formula C20H33NO3 and molecular weight 335.25 g/mol. IUPAC: 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate.
Chemical Property Profile of 奥昔拉定
Property Insights of 奥昔拉定
The XLogP value of 4.0 indicates that Oxeladin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 奥昔拉定 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxeladin has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxeladin?
The CAS number of Oxeladin is 468-61-1.
What is the molecular formula of Oxeladin?
The molecular formula of Oxeladin is C20H33NO3.
What is the molecular weight of Oxeladin?
The molecular weight of Oxeladin is 335.25 g/mol.
Where can I buy Oxeladin?
You can request a quote for Oxeladin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxeladin?
Yes, KEHONG BIO provides custom synthesis services for Oxeladin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.